N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide

C21H20N4O4 — CID 42504506

IUPACN-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide
SMILESCc1noc(C)c1CN1C(=O)[C@H](C)Oc2ccc(NC(=O)c3ccncc3)cc21
InChIInChI=1S/C21H20N4O4/c1-12-17(13(2)29-24-12)11-25-18-10-16(4-5-19(18)28-14(3)21(25)27)23-20(26)15-6-8-22-9-7-15/h4-10,14H,11H2,1-3H3,(H,23,26)/t14-/m0/s1
InChIKeyBICOPUJYUOQECA-AWEZNQCLSA-N
MW392.42 g/mol
LogP3.25
Rot. Bonds4

About N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide

N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide (PubChem CID 42504506) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide
PubChem CID42504506
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC NameN-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide
SMILESCc1noc(C)c1CN1C(=O)[C@H](C)Oc2ccc(NC(=O)c3ccncc3)cc21
InChIInChI=1S/C21H20N4O4/c1-12-17(13(2)29-24-12)11-25-18-10-16(4-5-19(18)28-14(3)21(25)27)23-20(26)15-6-8-22-9-7-15/h4-10,14H,11H2,1-3H3,(H,23,26)/t14-/m0/s1
InChIKeyBICOPUJYUOQECA-AWEZNQCLSA-N
XLogP3.25
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-ethylsulfonyl-2-methyl-1,4-benzoxazin-3-one
CID 126469419
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 52904676
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-(2,5-dimethyl-1,3-thiazol-4-yl)-2-methyl-1,4-benzoxazin-3-one
CID 71683870
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 75527487
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871
6-acetyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1,4-benzoxazin-3-one
CID 28816433
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55728150
2-methyl-6-(methylamino)-4-(2-oxopropyl)-1,4-benzoxazin-3-one
CID 115234598
N-(3,4-difluorophenyl)-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683250
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-hydroxyphenyl)benzamide
CID 78783407
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51065384

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide (CID 42504506) is N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide is Cc1noc(C)c1CN1C(=O)[C@H](C)Oc2ccc(NC(=O)c3ccncc3)cc21.
What is the InChIKey of N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide?
The InChIKey is BICOPUJYUOQECA-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-12-17(13(2)29-24-12)11-25-18-10-16(4-5-19(18)28-14(3)21(25)27)23-20(26)15-6-8-22-9-7-15/h4-10,14H,11H2,1-3H3,(H,23,26)/t14-/m0/s1.
What are the key properties of N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide?
N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methyl-3-oxo-1,4-benzoxazin-6-yl]pyridine-4-carboxamide is sourced from PubChem (CID 42504506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).